[4-(1,3-benzodioxol-5-yl)-1-propylpiperidin-4-yl]methanamine

C16H24N2O2 — CID 95479252

IUPAC[4-(1,3-benzodioxol-5-yl)-1-propylpiperidin-4-yl]methanamine
SMILESCCCN1CCC(CN)(c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C16H24N2O2/c1-2-7-18-8-5-16(11-17,6-9-18)13-3-4-14-15(10-13)20-12-19-14/h3-4,10H,2,5-9,11-12,17H2,1H3
InChIKeyOTSZCXDRKAOMJI-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.12
Rot. Bonds4

About [4-(1,3-benzodioxol-5-yl)-1-propylpiperidin-4-yl]methanamine

[4-(1,3-benzodioxol-5-yl)-1-propylpiperidin-4-yl]methanamine (PubChem CID 95479252) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is [4-(1,3-benzodioxol-5-yl)-1-propylpiperidin-4-yl]methanamine.

Molecular Properties

Compound Name[4-(1,3-benzodioxol-5-yl)-1-propylpiperidin-4-yl]methanamine
PubChem CID95479252
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name[4-(1,3-benzodioxol-5-yl)-1-propylpiperidin-4-yl]methanamine
SMILESCCCN1CCC(CN)(c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C16H24N2O2/c1-2-7-18-8-5-16(11-17,6-9-18)13-3-4-14-15(10-13)20-12-19-14/h3-4,10H,2,5-9,11-12,17H2,1H3
InChIKeyOTSZCXDRKAOMJI-UHFFFAOYSA-N
XLogP2.12
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(1,3-benzodioxol-5-yl)-1-propylpiperidin-4-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(1,3-benzodioxol-5-yl)-3,3-diethylcyclobutyl]methanamine
CID 65003511
[1-(1,3-benzodioxol-5-yl)-3-ethylcyclobutyl]methanamine
CID 65000376
3-(aminomethyl)-3-(1,3-benzodioxol-5-yl)cyclobutan-1-one
CID 64905844
2-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]-1-ethyl-3-(1-propylpiperidin-4-yl)guanidine
CID 111017133
[1-(2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopropyl]methanamine
CID 117312500
1,4-bis[2-(1,3-benzodioxol-5-yl)ethyl]piperazine
CID 137450994
1-(1,3-benzodioxol-5-yl)-3-[2-(4-propylpiperazin-1-yl)ethyl]urea
CID 23609356
5-(1,3-benzodioxol-5-yl)-5-methyl-3-propylimidazolidine-2,4-dione
CID 17396815
[1-(4-ethyl-3-methylphenyl)cyclopropyl]methanamine
CID 117281667
[1-(2-methoxyethyl)-4-(4-methylphenyl)piperidin-4-yl]methanamine
CID 95468614
2-(1,3-benzodioxol-5-yl)-N-(1-propylpiperidin-4-yl)acetamide
CID 86822757
5-(1-methylcyclobutyl)-1,3-benzodioxole
CID 130983520

Frequently Asked Questions

What is the IUPAC name of [4-(1,3-benzodioxol-5-yl)-1-propylpiperidin-4-yl]methanamine?
The IUPAC name of [4-(1,3-benzodioxol-5-yl)-1-propylpiperidin-4-yl]methanamine (CID 95479252) is [4-(1,3-benzodioxol-5-yl)-1-propylpiperidin-4-yl]methanamine.
What is the SMILES notation for [4-(1,3-benzodioxol-5-yl)-1-propylpiperidin-4-yl]methanamine?
The canonical SMILES for [4-(1,3-benzodioxol-5-yl)-1-propylpiperidin-4-yl]methanamine is CCCN1CCC(CN)(c2ccc3c(c2)OCO3)CC1.
What is the InChIKey of [4-(1,3-benzodioxol-5-yl)-1-propylpiperidin-4-yl]methanamine?
The InChIKey is OTSZCXDRKAOMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-7-18-8-5-16(11-17,6-9-18)13-3-4-14-15(10-13)20-12-19-14/h3-4,10H,2,5-9,11-12,17H2,1H3.
What are the key properties of [4-(1,3-benzodioxol-5-yl)-1-propylpiperidin-4-yl]methanamine?
[4-(1,3-benzodioxol-5-yl)-1-propylpiperidin-4-yl]methanamine has a molecular weight of 276.38 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-benzodioxol-5-yl)-1-propylpiperidin-4-yl]methanamine is sourced from PubChem (CID 95479252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).